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Ab initio molecular dynamics description of proton transfer at water-tricalcium silicate interfaceCement and Concrete Research, 2020, 136, pp.106162. ⟨10.1016/j.cemconres.2020.106162⟩
Article dans une revue
hal-02932027v1
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Assessment of mechanical, thermal properties and crystal shapes of monoclinic tricalcium silicate from atomistic simulationsCement and Concrete Research, 2021, 140, pp.106269. ⟨10.1016/j.cemconres.2020.106269⟩
Article dans une revue
hal-03040630v1
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Assessment of the reactivity and hydration of Portland cement clinker phases from atomistic simulation: A critical reviewCement and Concrete Research, 2022, 154, pp.106711. ⟨10.1016/j.cemconres.2022.106711⟩
Article dans une revue
hal-03557298v1
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Water's behaviour on Ca-rich tricalcium silicate surfaces for various degrees of hydration A molecular dynamics investigationJournal of Physics and Chemistry of Solids, 2019, 132, pp.48-55. ⟨10.1016/j.jpcs.2019.03.020⟩
Article dans une revue
hal-02122199v1
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